Odd-number cyclo[n]carbons sustaining alternating aromaticity
Cyclo[n]carbons (n = 5, 7, 9,..., 29) composed from an odd number of carbon atoms are studied computationally at density functional theory (DFT) and ab initio complete active space self-consistent field (CASSCF) levels of theory to get insight into their electronic structure and aromaticity. DFT cal...
| Published in: | The Journal of Physical Chemistry A Vol. 126, № 16. P. 2445-2452 |
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| Other Authors: | , , , , , , , , |
| Format: | Article |
| Language: | English |
| Subjects: | |
| Online Access: | http://vital.lib.tsu.ru/vital/access/manager/Repository/koha:001001601 |